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CHEMBRIDGE-ZINC01159495

 MMsINC code: MMs00675492
Type: Neutral
Formula: C15H10ClFN2O3S
SMILES:   Clc1cc(NC(=S)NC(=O)c2ccc(F)cc2)ccc1C(O)=O
InChI:   InChI=1/C15H10ClFN2O3S/c16-12-7-10(5-6-11(12)14(21)22)18-15(23)19-13(20)8-1-3-9(17)4-2-8/h1-7H,(H,21,22)(H2,18,19,20,23)

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Potential Energy
Epot(MMFF94)=123.874 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 352.773 g/mol  logS: -5.81703  SlogP: 3.3041  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.0146757  Sterimol/B1: 2.55874  Sterimol/B2: 3.29406  Sterimol/B3: 3.78476
  Sterimol/B4: 5.1546  Sterimol/L: 18.7023 
 
 Surface and Volume Properties
  Accessible surface: 543.874  Positive charged surface: 243.215  Negative charged surface: 300.659  Volume: 282.25
  Hydrophobic surface: 350.659  Hydrophilic surface: 193.215
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules


MMs00675493
CHEMBRIDGE-ZINC01159495